5-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione

C20H23N3O4 — CID 56887988

IUPAC5-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC2(CC1)c1ccccc1CC2O
InChIInChI=1S/C20H23N3O4/c1-12-14(18(26)22-19(27)21-12)11-17(25)23-8-6-20(7-9-23)15-5-3-2-4-13(15)10-16(20)24/h2-5,16,24H,6-11H2,1H3,(H2,21,22,26,27)
InChIKeyVLJBODNQNANFRG-UHFFFAOYSA-N
MW369.42 g/mol
LogP0.39
Rot. Bonds2

About 5-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione

5-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 56887988) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 5-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID56887988
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name5-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC2(CC1)c1ccccc1CC2O
InChIInChI=1S/C20H23N3O4/c1-12-14(18(26)22-19(27)21-12)11-17(25)23-8-6-20(7-9-23)15-5-3-2-4-13(15)10-16(20)24/h2-5,16,24H,6-11H2,1H3,(H2,21,22,26,27)
InChIKeyVLJBODNQNANFRG-UHFFFAOYSA-N
XLogP0.39
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione (CID 56887988) is 5-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC2(CC1)c1ccccc1CC2O.
What is the InChIKey of 5-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is VLJBODNQNANFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-12-14(18(26)22-19(27)21-12)11-17(25)23-8-6-20(7-9-23)15-5-3-2-4-13(15)10-16(20)24/h2-5,16,24H,6-11H2,1H3,(H2,21,22,26,27).
What are the key properties of 5-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?
5-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 369.42 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56887988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).